methyl 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-3-oxidanylidene-propanoate Openeye Name: methyl 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-3-oxo-propanoate CAS Name: 3-[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-3-oxopropanoate Traditional Name: 3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazino)-3-keto-propionic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42

Isomeric SMILES

COC(=O)CC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42

InChI

InChI=1S/C21H21N3O4/c1-27-20(26)14-19(25)23-10-12-24(13-11-23)21-15-6-2-4-8-17(15)28-18-9-5-3-7-16(18)22-21/h2-9H,10-14H2,1H3